3,3,3-trifluoroprop-1-ene-1-thiol

C3H3F3S — CID 154141998

IUPAC3,3,3-trifluoroprop-1-ene-1-thiol
SMILESFC(F)(F)C=CS
InChIInChI=1S/C3H3F3S/c4-3(5,6)1-2-7/h1-2,7H
InChIKeyJNQYVEURHZJHRO-UHFFFAOYSA-N
MW128.12 g/mol
LogP1.99
Rot. Bonds

About 3,3,3-trifluoroprop-1-ene-1-thiol

3,3,3-trifluoroprop-1-ene-1-thiol (PubChem CID 154141998) has the molecular formula C3H3F3S and a molecular weight of 128.12 g/mol. Its IUPAC name is 3,3,3-trifluoroprop-1-ene-1-thiol.

Molecular Properties

Compound Name3,3,3-trifluoroprop-1-ene-1-thiol
PubChem CID154141998
Molecular FormulaC3H3F3S
Molecular Weight128.12 g/mol
Exact Mass127.99
IUPAC Name3,3,3-trifluoroprop-1-ene-1-thiol
SMILESFC(F)(F)C=CS
InChIInChI=1S/C3H3F3S/c4-3(5,6)1-2-7/h1-2,7H
InChIKeyJNQYVEURHZJHRO-UHFFFAOYSA-N
XLogP1.99
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.12
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1,1,1,6,6,6-hexafluorohexa-2,4-diene
CID 71367258
1-chloro-3,3,3-trifluoroprop-1-ene;(E)-1-chloro-3,3,3-trifluoroprop-1-ene
CID 158927719
(E)-1,1,1,4,4,4-hexafluorobut-2-ene;propane
CID 90329560
3,3,3-trifluoroprop-1-ene
CID 90915807
(E)-1,1,1,4,4,5,5,5-octafluoropent-2-ene
CID 18520951
(E)-3,3,3-trifluoro-1-[(E)-3,3,3-trifluoroprop-1-enyl]sulfanylprop-1-ene
CID 87597196
carbonic acid;1,1,1,4,4,4-hexafluorobut-2-ene
CID 160871889
(E)-1,1,1-trifluoro-4-sulfanylbut-3-en-2-one
CID 88602335
carbon dioxide;1,3,3,3-tetrafluoroprop-1-ene
CID 170161980
1,1,1,4,4,5,5,6,6,6-decafluorohex-2-ene
CID 73177908
4,4-dichloro-1,1,1,5,5,5-hexafluoropent-2-ene
CID 168864635
(E)-ethene-1,2-dithiol
CID 6311349

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoroprop-1-ene-1-thiol?
The IUPAC name of 3,3,3-trifluoroprop-1-ene-1-thiol (CID 154141998) is 3,3,3-trifluoroprop-1-ene-1-thiol.
What is the SMILES notation for 3,3,3-trifluoroprop-1-ene-1-thiol?
The canonical SMILES for 3,3,3-trifluoroprop-1-ene-1-thiol is FC(F)(F)C=CS.
What is the InChIKey of 3,3,3-trifluoroprop-1-ene-1-thiol?
The InChIKey is JNQYVEURHZJHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F3S/c4-3(5,6)1-2-7/h1-2,7H.
What are the key properties of 3,3,3-trifluoroprop-1-ene-1-thiol?
3,3,3-trifluoroprop-1-ene-1-thiol has a molecular weight of 128.12 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoroprop-1-ene-1-thiol is sourced from PubChem (CID 154141998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).